N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C22H20FN5O2 — CID 90118488

IUPACN-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(Oc4ccc(F)cc4)c(C)c3)cc12
InChIInChI=1S/C22H20FN5O2/c1-3-24-21(29)20-18-13-28(27-19(18)8-9-25-20)12-15-10-14(2)22(26-11-15)30-17-6-4-16(23)5-7-17/h4-11,13H,3,12H2,1-2H3,(H,24,29)
InChIKeyDIENIGOHVYPTRB-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.86
Rot. Bonds6

About N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118488) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118488
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(Oc4ccc(F)cc4)c(C)c3)cc12
InChIInChI=1S/C22H20FN5O2/c1-3-24-21(29)20-18-13-28(27-19(18)8-9-25-20)12-15-10-14(2)22(26-11-15)30-17-6-4-16(23)5-7-17/h4-11,13H,3,12H2,1-2H3,(H,24,29)
InChIKeyDIENIGOHVYPTRB-UHFFFAOYSA-N
XLogP3.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118488) is N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cnc(Oc4ccc(F)cc4)c(C)c3)cc12.
What is the InChIKey of N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is DIENIGOHVYPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-3-24-21(29)20-18-13-28(27-19(18)8-9-25-20)12-15-10-14(2)22(26-11-15)30-17-6-4-16(23)5-7-17/h4-11,13H,3,12H2,1-2H3,(H,24,29).
What are the key properties of N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).